Compound Detail
CHEMBL155976
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CCCCCN(CCCCC)C(=O)[C@H]1CCN(C(=O)N(c2ccccc2)c2cccc(Cl)c2)[C@H](C(=O)O)C1
Basic Information
| ChEMBL ID | CHEMBL155976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLFQYVHLSBEAJT-HOFKKMOUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
542.1
MW (Da)
6.97
ALogP
3
HBA
1
HBD
81.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 20.0 | nM | 7.7 | Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00080-D | Substance-P receptor | 1 |
| - | 10.1016/0960-894X(95)00080-D | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine